SCHEMBL1358720

SCHEMBL1358720

O=C1CCN(c2ccc(C(=O)N3CCCCC3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.65
ALDH1A1 P00352 7/20 0.65
L3MBTL1 Q9Y468 2/20 0.56
MBTD1 Q05BQ5 1/20 0.56
TP53BP1 Q12888 1/20 0.56
L3MBTL4 Q8NA19 1/20 0.56
L3MBTL3 Q96JM7 1/20 0.56
CHRNA10 Q9GZZ6 1/20 0.56
CHRNA9 Q9UGM1 1/20 0.56
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.54
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1359639 0.86 HPGD (0.63) HPGDALDH1A1L3MBTL1HSD17B10MAPT
SCHEMBL21790168 0.81 HPGD (0.65) HPGDALDH1A1L3MBTL1MBTD1TP53BP1
SCHEMBL24120195 0.80 HPGD (0.61) HPGDALDH1A1L3MBTL1MBTD1TP53BP1
SCHEMBL27479149 0.80 HPGD (1.00) HPGDALDH1A1L3MBTL1MBTD1L3MBTL3
SCHEMBL7132525 0.80 HPGD (1.00) HPGDALDH1A1L3MBTL1MBTD1L3MBTL3
SCHEMBL14528664 0.79 HPGD (0.65) HPGDALDH1A1L3MBTL1MBTD1TP53BP1
SCHEMBL10721733 0.78 HPGD (0.95) HPGDALDH1A1L3MBTL1MBTD1TP53BP1
SCHEMBL1664948 0.78 KDM4E (0.61) HPGDALDH1A1L3MBTL1HSD17B10MAPT
SCHEMBL13034168 0.77 L3MBTL3 (0.91) ALDH1A1L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL14529142 0.77 L3MBTL3 (0.91) ALDH1A1L3MBTL1MBTD1TP53BP1L3MBTL4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8067457-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
WO-2007053498-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 HPGD 1479/4885ALDH1A1 1292/4885L3MBTL1 3826/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 HPGD 1479/4885ALDH1A1 1292/4885L3MBTL1 3826/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.